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Scene simulation in autonomous driving has gained significant attention because of its huge potential for generating customized data. However, existing editable scene simulation approaches face limitations in terms of user interaction…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
To survive in ever-changing environments, living organisms need to continuously combine the ongoing external inputs they receive, representing present conditions, with their dynamical internal state, which includes influences of past…
World models have emerged as a powerful paradigm for building interactive simulation environments, with recent video-based approaches demonstrating impressive progress in generating visually plausible dynamics. However, because these models…
The advancement of visual language models (VLMs) has enhanced mobile device operations, allowing simulated human-like actions to address user requirements. Current VLM-based mobile operating assistants can be structured into three levels:…
ChatGPT shows remarkable capabilities for machine translation (MT). Several prior studies have shown that it achieves comparable results to commercial systems for high-resource languages, but lags behind in complex tasks, e.g., low-resource…
Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…
Artificial intelligence-based chatbots are increasingly influencing physics education due to their ability to interpret and respond to textual and visual inputs. This study evaluates the performance of two large multimodal model-based…
Studies on in-vehicle conversational agents have traditionally relied on pre-scripted prompts or limited voice commands, constraining natural driver-agent interaction. To resolve this issue, the present study explored the potential of a…
Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…
Human mobility simulation plays a crucial role in various real-world applications. Recently, to address the limitations of traditional data-driven approaches, researchers have explored leveraging the commonsense knowledge and reasoning…
Operando calorimetry has previously been utilized to study degradation, side reactions, and other electrochemical effects in electrochemical cells such as batteries at or near room temperature. Calorimetric data can provide important…
Quantum computing presents a promising alternative to classical computational methods for modeling strongly correlated materials with partially filled d orbitals. In this study, we perform a comprehensive quantum resource estimation using…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
A major bottleneck in developing sustainable processes and materials is a lack of property data. Recently, machine learning approaches have vastly improved previous methods for predicting molecular properties. However, these machine…
A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that…
Interactions of molecules with their environment influence the course and outcome of almost all chemical reactions. However, classical computers struggle to accurately simulate complicated molecule-environment interactions because of the…
Simulation is a foundational tool for the analysis and testing of cyber-physical systems (CPS), underpinning activities such as algorithm development, runtime monitoring, and system verification. As CPS grow in complexity and scale,…
Molecular self-organization driven by concerted many-body interactions produces the ordered structures that define both inanimate and living matter. Understanding the physical mechanisms that govern the formation of molecular complexes and…